(E)-3-(5-bromanyl-2-prop-2-enoxy-phenyl)-2-cyano-N-(2-methoxy-4-nitro-phenyl)prop-2-enamide

Systemtic Name: (E)-3-(5-bromanyl-2-prop-2-enoxy-phenyl)-2-cyano-N-(2-methoxy-4-nitro-phenyl)prop-2-enamide Openeye Name: (E)-3-(2-allyloxy-5-bromo-phenyl)-2-cyano-N-(2-methoxy-4-nitro-phenyl)prop-2-enamide CAS Name: (E)-3-(5-bromo-2-prop-2-enoxyphenyl)-2-cyano-N-(2-methoxy-4-nitrophenyl)-2-propenamide IUPAC Name: (E)-3-(5-bromo-2-prop-2-enoxyphenyl)-2-cyano-N-(2-methoxy-4-nitrophenyl)prop-2-enamide Traditional Name: (E)-3-(2-allyloxy-5-bromo-phenyl)-2-cyano-N-(2-methoxy-4-nitro-phenyl)acrylamide Formula: C20H16BrN3O5 MolecularWeight: 458.26214

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)[N+](=O)[O-])NC(=O)C(=CC2=C(C=CC(=C2)Br)OCC=C)C#N

Isomeric SMILES

COC1=C(C=CC(=C1)[N+](=O)[O-])NC(=O)/C(=C/C2=C(C=CC(=C2)Br)OCC=C)/C#N

InChI

InChI=1S/C20H16BrN3O5/c1-3-8-29-18-7-4-15(21)10-13(18)9-14(12-22)20(25)23-17-6-5-16(24(26)27)11-19(17)28-2/h3-7,9-11H,1,8H2,2H3,(H,23,25)/b14-9+